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Merck
CN

33693

Supelco

Equilenin solution

VETRANAL®, 100 μg/mL in acetonitrile, analytical standard

Synonym(s):

3-Hydroxy-1,3,5(10),6,8-estrapentaen-17-one

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About This Item

Empirical Formula (Hill Notation):
C18H18O2
CAS Number:
517-09-9
Molecular Weight:
266.33
EC Number:
200-835-2
MDL number:
MFCD00003619
UNSPSC Code:
41116107
PubChem Substance ID:
329754629
NACRES:
NA.24

Key Documents

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grade

analytical standard

Quality Level

100

product line

VETRANAL®

shelf life

limited shelf life, expiry date on the label

concentration

100 μg/mL in acetonitrile

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

application(s)

agriculture

format

single component solution

storage temp.

2-8°C

SMILES string

[H][C@@]12CCC(=O)[C@@]1(C)CCc3c2ccc4cc(O)ccc34

InChI

1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1

InChI key

PDRGHUMCVRDZLQ-WMZOPIPTSA-N

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Application

Equilenin may be used as an analytical reference standard for the quantification of the analyte in pharmaceutical formulations using high-performance liquid chromatography (HPLC) with fluorescence and ultraviolet detection.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

VETRANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

35.6 °F

Flash Point(C)

2 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCBZ5317
BCBV5256

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Teshome B Gherezghiher et al.
Chemico-biological interactions, 196(1-2), 1-10 (2012-02-01)
o-Quinone forming estrogens and selective estrogen receptor modulators (SERMs) have been associated with carcinogenesis. LY2066948, a novel SERM in development by Eli Lilly for the treatment of uterine fibroids and myomas, has structural similarity to the equine estrogen equilenin present
In this issue. Estrogen double whammy.
Chemical research in toxicology, 23(8), 1303-1304 (2010-08-17)
Matteo Comin et al.
Journal of computational biology : a journal of computational molecular cell biology, 16(11), 1577-1591 (2009-12-05)
The functional prediction of proteins is one of the most challenging problems in modern biology. An established computational technique involves the identification of three-dimensional local similarities in proteins. In this article, we present a novel method to quickly identify promising
In the mix: equine estrogens used in HRT.
Barbara Booth
Environmental science & technology, 43(10), 3404-3404 (2009-06-24)
Zhican Wang et al.
Chemical research in toxicology, 22(6), 1129-1136 (2009-04-17)
Estrogen-DNA adducts are potential biomarkers for assessing cancer risk and progression in estrogen-dependent cancer. 4-Hydroxyequilenin (4-OHEN), the major catechol metabolite of equine estrogens present in hormone replacement therapy formulations, autoxidizes to a reactive o-quinone that subsequently causes DNA damage. The
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